4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide

C12H20N6O2 — CID 665366

IUPAC4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide
SMILESCC(C)(C)Nc1nc(C(N)=O)nc(N2CCOCC2)n1
InChIInChI=1S/C12H20N6O2/c1-12(2,3)17-10-14-9(8(13)19)15-11(16-10)18-4-6-20-7-5-18/h4-7H2,1-3H3,(H2,13,19)(H,14,15,16,17)
InChIKeyCLUZPGIFNKUKAK-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.02
Rot. Bonds3

About 4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide

4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide (PubChem CID 665366) has the molecular formula C12H20N6O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound Name4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide
PubChem CID665366
Molecular FormulaC12H20N6O2
Molecular Weight280.33 g/mol
Exact Mass280.16
IUPAC Name4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide
SMILESCC(C)(C)Nc1nc(C(N)=O)nc(N2CCOCC2)n1
InChIInChI=1S/C12H20N6O2/c1-12(2,3)17-10-14-9(8(13)19)15-11(16-10)18-4-6-20-7-5-18/h4-7H2,1-3H3,(H2,13,19)(H,14,15,16,17)
InChIKeyCLUZPGIFNKUKAK-UHFFFAOYSA-N
XLogP0.02
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4,6-Dimorpholin-4-yl-1,3,5-triazine-2-carboxamide
CID 977017
4-(Dimethylamino)-6-(4-morpholinyl)-1,3,5-triazine-2-carboxamide
CID 942832
Bas 07119533
CID 934204
N-((4-methoxy-6-morpholino-1,3,5-triazin-2-yl)methyl)isobutyramide
CID 121137745
4-Morpholin-4-yl-6-piperidyl-1,3,5-triazine-2-carboxamide
CID 729560
4-Methoxy-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide
CID 4303317
4-(Methylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide
CID 936517
2-Amino-4-carbamoyl-6-morpholino-1,3,5-triazine
CID 597577
4-(Ethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide
CID 755876
4-(dimethylamino)-N,N-dimethyl-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazine-2-carboxamide
CID 171463140
4-(Tert-butylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate
CID 3679716
2-[(4-Chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-methylpropanamide
CID 62863131

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide?
The IUPAC name of 4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide (CID 665366) is 4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for 4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide?
The canonical SMILES for 4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide is CC(C)(C)Nc1nc(C(N)=O)nc(N2CCOCC2)n1.
What is the InChIKey of 4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide?
The InChIKey is CLUZPGIFNKUKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2/c1-12(2,3)17-10-14-9(8(13)19)15-11(16-10)18-4-6-20-7-5-18/h4-7H2,1-3H3,(H2,13,19)(H,14,15,16,17).
What are the key properties of 4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide?
4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 665366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).